Basic information
- CAS
1981-20-0- Standard SMILES
CCOP(=O)(OCC)Oc1ccc(S(N)(=O)=O)cc1- InChIKey
XTOFAPRXSMHBMO-UHFFFAOYSA-N- Molecular formula
- C10H16NO6PS
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.0435954
Names & identifiers
- Preferred name
- Diethyl 4-sulfamoylphenyl phosphate
- IUPAC
- diethyl (4-sulfamoylphenyl) phosphate
- English name
- Phosphoric acid 4-(aminosulfonyl)phenyldiethyl ester
- Molecular formula
- C10H16NO6PS
- Molecular weight
- 309.28
Names & synonyms
1981-20-0diethyl 4-sulfamoylphenyl phosphateDTXSID90941635RefChem:1083487DTXCID101370061diethyl (4-sulfamoylphenyl) phosphatePhosphoric acid 4-(aminosulfonyl)phenyldiethyl esterAmerican cyanamid CL-23697Diethyl p-sulfamoylphenyl phosphateENT 25,638BRN 2161909AC 23697
Show more names
ENT-25638
CL-23697Phosphoric acid, 4-(aminosulfonyl)phenyl diethyl ester4-(Aminosulfonyl)phenyl diethyl phosphateO,O-Diethyl O-(p-sulfamoylphenyl) phosphateBenzenesulfonamide, p-hydroxy-, diethyl phosphatePhosphoric acid, diethyl ester, ester with p-hydroxybenzenesulfonamide
Database identifiers
- CAS
1981-20-0- PubChem CID
- 74797
- DTXSID
DTXSID90941635- Nikkaji
- J50.386J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 80 · 80-81 °C
- Boiling point
- 413.9 · 413.9±51.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 9.9 · 9.90±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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